1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one

C24H28N2O2 — CID 157082515

About 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one

1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one (PubChem CID 157082515) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one.

Molecular Properties

• Compound Name: 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one
• PubChem CID: 157082515
• Molecular Formula: C24H28N2O2
• Molecular Weight: 376.50 g/mol
• Exact Mass: 376.22
• IUPAC Name: 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one
• SMILES: Cc1cccc(CCC(=O)C(C)(C)COc2cccc3nc(C)cc(N)c23)c1
• InChI: InChI=1S/C24H28N2O2/c1-16-7-5-8-18(13-16)11-12-22(27)24(3,4)15-28-21-10-6-9-20-23(21)19(25)14-17(2)26-20/h5-10,13-14H,11-12,15H2,1-4H3,(H2,25,26)
• InChIKey: XAESSZKEVNOHNW-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 65.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.50
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one?

The IUPAC name of 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one (CID 157082515) is 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one.

What is the SMILES notation for 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one?

The canonical SMILES for 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one is Cc1cccc(CCC(=O)C(C)(C)COc2cccc3nc(C)cc(N)c23)c1.

What is the InChIKey of 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one?

The InChIKey is XAESSZKEVNOHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-16-7-5-8-18(13-16)11-12-22(27)24(3,4)15-28-21-10-6-9-20-23(21)19(25)14-17(2)26-20/h5-10,13-14H,11-12,15H2,1-4H3,(H2,25,26).

What are the key properties of 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one?

1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one has a molecular weight of 376.50 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one is sourced from PubChem (CID 157082515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).